SCHEMBL7516462

SCHEMBL7516462

CCCC1CCC(C2CCC(C(F)(F)CC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
CYP1A2 P05177 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17614847 0.89 CYP1A2 (0.45) CYP1A2
SCHEMBL17614837 0.87 CYP1A2 (0.39) CYP1A2
SCHEMBL7504973 0.86 TLR4 (0.33) TLR4
SCHEMBL17614832 0.86 LIPA (0.30)
SCHEMBL6058639 0.83 TLR4 (0.36) TLR4CYP1A2
SCHEMBL9151186 0.83 TLR4 (0.36) TLR4CYP1A2
SCHEMBL7505717 0.83 CYP1A2 (0.35) TLR4CYP1A2
SCHEMBL17614828 0.82 CYP1A2 (0.34) TLR4CYP1A2
SCHEMBL9767719 0.82 TLR4 (0.35) TLR4CYP1A2
SCHEMBL9151877 0.82 TLR4 (0.35) TLR4CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580652-B2 Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-9580652-B2 Liquid crystal compound, liquid crystal composition including the same and liquid crystal display including the liquid crystal composition SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-28 US disclosed
US-20170031213-A1 LIQUID CRYSTAL DISPLAY SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-02 US disclosed
US-20170031213-A1 LIQUID CRYSTAL DISPLAY SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-02 US disclosed
US-20160083653-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160083653-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
US-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-24 US disclosed
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160083654-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY COMPRISING THE LIQUID CRYSTAL COMPOSITION NAP1L1, SLFN12, RCC2 TLR4 4448/4885CYP1A2 660/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.